Crystallography Open Database

Information card for entry 2214213

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2214213.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(dipyrido[3,2-a:2',3'-c]phenazine)sulfatoiron(II) monohydrate
Formula	C36 H22 Fe N8 O5 S
Calculated formula	C36 H22 Fe N8 O5 S
Title of publication	Bis(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)sulfatoiron(II) monohydrate
Authors of publication	Qing-Wei Wang; Xiao-Hong Zhao; Zhi-Xing Yu; Jian Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1861 - m1861
a	17.527 ± 0.002 Å
b	7.2674 ± 0.001 Å
c	23.203 ± 0.003 Å
α	90°
β	94.826 ± 0.002°
γ	90°
Cell volume	2945 ± 0.6 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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